N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

C14H26N2O2 — CID 108958153

IUPACN-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-5-11(2)15-12(17)14(3,4)13(18)16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyNGMOBALXHLZYCS-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.94
Rot. Bonds4

About N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide

N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (PubChem CID 108958153) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
PubChem CID108958153
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide
SMILESCCC(C)NC(=O)C(C)(C)C(=O)N1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-5-11(2)15-12(17)14(3,4)13(18)16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17)
InChIKeyNGMOBALXHLZYCS-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The IUPAC name of N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide (CID 108958153) is N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is CCC(C)NC(=O)C(C)(C)C(=O)N1CCCCC1.
What is the InChIKey of N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
The InChIKey is NGMOBALXHLZYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-11(2)15-12(17)14(3,4)13(18)16-9-7-6-8-10-16/h11H,5-10H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide?
N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide has a molecular weight of 254.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-dimethyl-3-oxo-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 108958153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).